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CAS Number: 2527-96-0
methyl 5-methylfuran-2-carboxylate

Structure

methyl 5-methylfuran-2-carboxylate
Name: methyl 5-methylfuran-2-carboxylate
Synonyms:
General Information
Product Number: 2527960
CAS Registry Number: 2527-96-0
Name:
2-​Furancarboxylic acid, 5-​methyl-​, methyl ester
2-​Furoic acid, 5-​methyl-​, methyl ester (6CI,​7CI,​8CI); 5-​Methyl-​2-​furoic acid methyl ester; Methyl 5-​methyl-​2-​furancarboxylate; Methyl 5-​methyl-​2-​furoate 
 
Chemical Formula: C7H8O3
Exact Mass: 140.05
Molecular Weight: 140.14
m/z: 140.05 (100.0%), 141.05 (7.8%)
Elemental Analysis: C, 59.99; H, 5.75; O, 34.25
 
InChI: InChI=1S/C7H8O3/c1-5-3-4-6(10-5)7(8)9-2/h3-4H,1-2H3
InChIKey: XBYZJUMTKHUJIY-UHFFFAOYSA-N
Canonical SMILES : CC1=CC=C(O1)C(=O)OC
 
Thermal Properties Value Condition Note
Boiling Point 205 °C Press: 760 Torr (1)CAS
Boiling Point 98 °C Press: 15 Torr (2)IC

Specification

98%

References
  1. (1) Andrisano, Renato; Annali di Chimica (Rome, Italy) 1950, V40, P30-4 CAPLUS
  2. (2) Petrini, Marino; Synthetic Communications 1988, V18(8), P847-53 CAPLUS
  3. (3) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  4. (4) Tsuboi, Sadao; Bulletin of the Chemical Society of Japan 1987, V60(5), P1807-12 CAPLUS
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